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Home Boronic acids 3-Chloro-4-isopropoxy-5-isobutoxyphenylboronic acid

3-Chloro-4-isopropoxy-5-isobutoxyphenylboronic acid

CAS No.:
2096339-27-2
Catalog Number:
AG01EHN7
Molecular Formula:
C13H20BClO4
Molecular Weight:
286.5595
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$300
- +
5g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EHN7
Chemical Name:
3-Chloro-4-isopropoxy-5-isobutoxyphenylboronic acid
CAS Number:
2096339-27-2
Molecular Formula:
C13H20BClO4
Molecular Weight:
286.5595
MDL Number:
MFCD21609512
IUPAC Name:
[3-chloro-5-(2-methylpropoxy)-4-propan-2-yloxyphenyl]boronic acid
InChI:
InChI=1S/C13H20BClO4/c1-8(2)7-18-12-6-10(14(16)17)5-11(15)13(12)19-9(3)4/h5-6,8-9,16-17H,7H2,1-4H3
InChI Key:
PAHLCWMXKLRQCP-UHFFFAOYSA-N
SMILES:
CC(COc1cc(cc(c1OC(C)C)Cl)B(O)O)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.559g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties